SCHEMBL3388946

SCHEMBL3388946

Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)Nc2cnc(N3CCNCC3)c(C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 8/20 0.61
KCNJ5 P48544 8/20 0.61
KCNJ3 P48549 8/20 0.61
MAPK14 Q16539 12/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 4/20 0.50
MAPK11 Q15759 3/20 0.50
HCK P08631 1/20 0.46
SRC P12931 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3390021 0.96 MAPK14 (0.57) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3180310 0.88 KCNJ6 (0.64) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3424342 0.86 KCNJ6 (0.54) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3390585 0.86 KCNJ6 (0.54) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3388891 0.85 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3174332 0.85 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3392454 0.82 MAPK14 (0.51) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3388947 0.82 KCNJ6 (0.50) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3389372 0.82 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3392591 0.82 MAPK14 (0.50) KCNJ6KCNJ5KCNJ3MAPK14MAPK13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed